Preferred Language
Articles
/
_BfcjZIBVTCNdQwC_LZh
In-silico design, molecular docking, molecular dynamic simulations, Molecular mechanics with generalised Born and surface area solvation study, and pharmacokinetic prediction of novel diclofenac as anti-inflammatory compounds
...Show More Authors

The prostaglandins inside inflamed tissues are produced by cyclooxygenase-2 (COX-2), making it an important target for improving anti-inflammatory medications over a long period. Adverse effects have been related to the traditional usage of non-steroidal anti-inflammatory drugs (NSAIDs) for the treatment of inflammation, mainly centered around gastrointestinal (GI) complications. The current research involves the creation of a virtual library of innovative molecules showing similar drug properties via a structure-based drug design. A library that includes five novel derivatives of Diclofenac was designed. Subsequently, molecular docking through the Glide module and determining the binding free energy implementing the Prime-MMGBSA module by the Schrödinger software package was used to identify compounds that showed marked specificity towards the COX-2 isoform. In addition, the ligands are subject to evaluation of their drug-like properties and ADMET (absorption, distribution, metabolism, excretion, and toxicity) characteristics using the QikProp module. Finally, molecular dynamics simulation has been calculated for the best molecule. The docking results indicated that all compounds own a predictive capability for specific binding to the COX-2 enzyme compared to the standard drug with a docking score range from -10.07 to -10.66 Kcal/mole, thus potentially overcoming the limitations imposed previously by the drugs currently used in clinical use. The ADMET analysis of the virtually active compounds demonstrated an acceptable drug-like profile and desirable pharmacokinetics properties. MM/GBSA calculation revealed that all the suggested compounds exhibited favorable free binding energies (-49.150 to - 60.185 Kcal/mole), indicating their strong potential to fit well into the COX-2 receptor. Finally, the MD simulation study revealed that compound 1 had perfect alignment with COX-2 receptor. The findings indicated that the compounds possess a predictive capability for specific binding to the COX-2 enzyme, thus potentially surmounting the restrictions imposed by the drugs currently employed in clinical use.

Scopus Crossref
View Publication
Publication Date
Sat Aug 31 2024
Journal Name
International Review On Modelling And Simulations (iremos)
Prosthetic Hand: a Brief Survey of Design and Actuation Technologies
...Show More Authors

View Publication
Scopus (1)
Scopus Crossref
Publication Date
Thu May 25 2023
Journal Name
Eureka: Physics And Engineering
Design, analysis and construction of a simple pulse duplicator system
...Show More Authors

One of the most important human diseases that need to be considered in terms of development of the medical engineering devices is cardiovascular disease which is a significant cause of death globally recently. Valvular heart disease is normally treated by restoring or altering heart valves with an artificial one. But the new prosthetic valve designs necessitate testing for durability estimate and failure method. It is significant to simulate the circulation system by the building of a pulse duplicator system. This study is stated by clarifying the parameter and implementation steps of the pulse duplicator system in which the different researchers have utilized the system and tried to explain the design steps of using this system wit

... Show More
View Publication
Scopus Crossref
Publication Date
Mon Jul 10 2023
Journal Name
Journal Of Engineering
Analysis and Optimum Design of Self Supporting Steel Communication Tower
...Show More Authors

The present study deals with the optimum design of self supporting steel communication towers. A special technique is used to represent the tower as an equivalent hollow tapered beam with variable cross section. Then this method is employed to find the best layout of the tower among prespecified configurations. The formulation of the problem is applied to four types of tower layout
with K and X brace, with equal and unequal panels. The objective function is the total weight of the tower. The variables are the base and the top dimensions, the number of panels for the tower and member's cross section areas. The formulations of design constraints are based on the requirements of EIA and ANSI codes for allowable stresses in the members

... Show More
View Publication Preview PDF
Crossref
Publication Date
Sat Oct 09 2021
Journal Name
Applied System Innovation
Design and Optimization of Vertical Axis Wind Turbines Using QBlade
...Show More Authors

Wind energy is considered one of the most important sources of renewable energy in the world, because it contributes to reducing the negative effects on the environment. The most important types of wind turbines are horizontal and vertical axis wind turbines. This work presents the full details of design for vertical axis wind turbine (VAWT) and how to find the optimal values of necessary factors. Additionally, the results shed light on the efficiency and performance of the VAWT under different working conditions. It was taken into consideration the variety of surrounding environmental conditions (such as density and viscosity of fluid, number of elements of the blade, etc.) to simulate the working of vertical wind turbines under di

... Show More
Scopus (26)
Crossref (29)
Scopus Clarivate Crossref
Publication Date
Fri May 16 2014
Journal Name
International Journal Of Computer Applications
Design and Implementation of Real Time Face Recognition System (RTFRS)
...Show More Authors

View Publication
Crossref (7)
Crossref
Publication Date
Fri Mar 31 2017
Journal Name
Al-khwarizmi Engineering Journal
Design and Implementation of a Pharmaceutical Inventory Database Management System
...Show More Authors

The main aim of this paper are the design and implementation of a pharmaceutical inventory database management system. The system was implemented by creating a database containing information about the stored medicines in the inventory, customers making transactions with the pharmaceutical trading company (which owns the inventory), medical suppliers, employees, payments, etc. The database was connected to the main application using C sharp. The proposed system should help in manag inginventory operations which include adding/updating employees’ information, preparing sale and purchase invoices, generating reports, adding/updating customers and suppliers, tracking customer payments and checking expired medicines in order to be disposed

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Jul 30 2024
Journal Name
Iraqi Journal Of Science
Frame-Based Change Detection Using Histogram and Threshold to Separate Moving Objects from Dynamic Background
...Show More Authors

      Detecting and subtracting the Motion objects from backgrounds is one of the most important areas. The development of cameras and their widespread use in most areas of security, surveillance, and others made face this problem. The difficulty of this area is unstable in the classification of the pixels (foreground or background). This paper proposed a suggested background subtraction algorithm based on the histogram. The classification threshold is adaptively calculated according to many tests. The performance of the proposed algorithms was compared with state-of-the-art methods in complex dynamic scenes.

View Publication Preview PDF
Scopus Crossref
Publication Date
Fri May 08 2026
Journal Name
Statistics, Optimization & Information Computing
A Fuzzy ARDL Model for Estimating the Dynamic Relationship between Government Revenues and Fiscal Balance
...Show More Authors

The relationship between government revenues and the fiscal balance represents a central pillar in the analysis of fiscal sustainability. However, its modeling faces a fundamental challenge in the form of structural uncertainty, which is not captured by point estimates in traditional models such as ARDL, as these models assume structural stability that is inconsistent with the nature of rentier economies. The current study aims to develop a fuzzy framework by constructing a Fuzzy Autoregressive Distributed Lag (FARDL) model. This is achieved through integrating the Autoregressive Distributed Lag (ARDL) approach with fuzzy logic theory, thereby enabling the incorporation of uncertainty into the inherent structure of the economic rela

... Show More
View Publication
Scopus Crossref
Publication Date
Thu Jan 10 2019
Journal Name
Association Of Arab Universities Journal Of Engineering Sciences
Numerical and Experimental Study of Winglet Effect with Different Cant Angles
...Show More Authors

The present work aims to investigate the aerodynamic characteristics of the winglet cant angle of Boeing 737-800 wing numerically and experimentally. The wing contain two swept angles 38.3o and 29.13o respectively, taper ratio 0.15 and aspect ratio 8.04. The wing involves three types of airfoils sections. Four cant angles for blended winglet have been considered (0o, 34o, 60o, 83.3o). The winglet has been analyzed to find the best cant angle for the wing without and with winglet. These models have been tested theoretically at Reynolds number of 2.06 x106 in order to study the winglet aerodynamic characteristics which consist of coefficient of Drag, coefficient of lift and Lift to drag ratio, pitching moment coefficient and bending moment co

... Show More
Publication Date
Fri Dec 30 2011
Journal Name
Mustansiria Dental Journal
Effect of microwave irradiation on disinfection, dimensional accuracy, and surface porosity of dental casts
...Show More Authors

To evaluate the effectiveness of different microwave irradiation exposure times on the disinfection of dental stone samples immersed in different solutions, and its affect on the dimensional accuracy and surface porosity. Dental stone casts were inoculated with an isolate of Bacillus subtilis to examine the efficiency of microwave irradiation as a disinfection method while immersed in different solutions; water, 40% sodium chloride, or without immersion for different durations. Dimensional accuracy and surface porosity were also evaluated. Significant reduction in colony counts of Bacillus subtilis were observed after 5 minutes of microwave irradiation of immersed dental casts in water and NaCl solution. No evidence of growth was observed a

... Show More
View Publication Preview PDF
Crossref (4)
Crossref